Theoretical and experimental studies on the tetrafluoroethylene dication

Wolfram Koch, Gernot Frenking, Francis Maquin, Daniel Stahl, Helmut Schwarz

Research output: Contribution to journalArticlepeer-review

10 Scopus citations

Abstract

C2F42+ is accessible by charge stripping from C2F4.+ with Qmin. = 19.0 eV for C2F4.+ → C2F4 2+ which is in good agreement with the vertical ionization energy of 19.33 eV predicted by ab initio molecular orbital calculations (4-31G//4-31G); according to these calculations the planar (D2h) form of C 2F42+ corresponds to the global minimum, being 3.5 kcal mol-1 (14.6 kJ mol-1) more stable than its perpendicular (D2d) isomer in distinct contrast to the analogous ethylene dication species for which the perpendicular form represents the global minimum on the C2H42+ potential energy surface.

Original languageEnglish
Pages (from-to)1187-1188
Number of pages2
JournalChemical Communications
Issue number17
DOIs
StatePublished - 1984
Externally publishedYes

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